REMARK Name = BDB018630 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.313 -2.287 0.112 0.00 0.00 +0.183 A ATOM 2 N LIG 1 1.886 -1.260 0.922 0.00 0.00 -0.304 N ATOM 3 C LIG 1 2.514 0.016 1.239 0.00 0.00 +0.105 C ATOM 4 C LIG 1 1.907 0.580 2.536 0.00 0.00 +0.133 C ATOM 5 N LIG 1 0.446 0.532 2.489 0.00 0.00 -0.288 N ATOM 6 C LIG 1 -0.136 -0.808 2.371 0.00 0.00 +0.184 C ATOM 7 C LIG 1 -0.268 1.721 2.409 0.00 0.00 +0.250 C ATOM 8 O LIG 1 0.265 2.824 2.309 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 2.363 1.007 0.082 0.00 0.00 +0.032 C ATOM 10 C LIG 1 0.652 -1.629 1.409 0.00 0.00 +0.152 A ATOM 11 N LIG 1 0.328 -2.800 0.910 0.00 0.00 -0.132 NA ATOM 12 N LIG 1 1.356 -3.204 0.098 0.00 0.00 -0.127 NA ENDROOT BRANCH 7 13 ATOM 13 C LIG 1 -1.738 1.673 2.390 0.00 0.00 +0.072 A ATOM 14 C LIG 1 -2.449 1.225 3.498 0.00 0.00 +0.135 A ATOM 15 F LIG 1 -1.813 0.815 4.604 0.00 0.00 -0.205 F ATOM 16 C LIG 1 -3.839 1.180 3.464 0.00 0.00 +0.039 A ATOM 17 C LIG 1 -4.518 1.577 2.309 0.00 0.00 +0.007 A ATOM 18 C LIG 1 -3.812 2.021 1.178 0.00 0.00 -0.041 A ATOM 19 C LIG 1 -2.412 2.102 1.242 0.00 0.00 +0.020 A BRANCH 18 20 ATOM 20 C LIG 1 -4.568 2.442 -0.066 0.00 0.00 +0.093 C BRANCH 20 21 ATOM 21 C LIG 1 -3.899 2.015 -1.367 0.00 0.00 +0.074 A ATOM 22 C LIG 1 -3.882 0.583 -1.764 0.00 0.00 +0.011 A ATOM 23 C LIG 1 -3.203 0.255 -2.935 0.00 0.00 +0.050 A ATOM 24 C LIG 1 -3.115 -1.076 -3.362 0.00 0.00 +0.014 A ATOM 25 C LIG 1 -3.714 -2.085 -2.610 0.00 0.00 +0.001 A ATOM 26 C LIG 1 -4.404 -1.764 -1.442 0.00 0.00 +0.001 A ATOM 27 C LIG 1 -2.576 1.327 -3.727 0.00 0.00 +0.272 A ATOM 28 O LIG 1 -1.975 1.087 -4.768 0.00 0.00 -0.266 OA ATOM 29 N LIG 1 -2.711 2.600 -3.231 0.00 0.00 -0.242 N ATOM 30 H LIG 1 -2.282 3.353 -3.760 0.00 0.00 +0.192 HD ATOM 31 C LIG 1 -4.493 -0.433 -1.018 0.00 0.00 +0.010 A ATOM 32 N LIG 1 -3.341 2.951 -2.078 0.00 0.00 -0.175 NA ENDBRANCH 20 21 ENDBRANCH 18 20 ENDBRANCH 7 13 BRANCH 1 35 ATOM 33 C LIG 1 5.696 -1.569 -1.030 0.00 0.00 +0.215 A ATOM 34 N LIG 1 4.532 -1.468 -0.348 0.00 0.00 -0.210 NA ATOM 35 C LIG 1 3.574 -2.384 -0.631 0.00 0.00 +0.112 A ATOM 36 C LIG 1 3.756 -3.394 -1.575 0.00 0.00 +0.032 A ATOM 37 C LIG 1 4.964 -3.471 -2.261 0.00 0.00 +0.007 A ATOM 38 C LIG 1 5.957 -2.541 -1.981 0.00 0.00 +0.067 A BRANCH 33 40 ATOM 39 C LIG 1 6.386 0.330 0.161 0.00 0.00 +0.279 C ATOM 40 O LIG 1 6.717 -0.668 -0.798 0.00 0.00 -0.480 OA ENDBRANCH 33 40 ENDBRANCH 1 35 TORSDOF 5